N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺
TL;DR: N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 (CAS 92680-94-9) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺
N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)hexanamide
Also Known As: xenorhabdin I, hexanoylholothin, N- hexanamide, Hexanoyl holothin, N-(5-oxo-4h-dithiolo(3,4-d)pyrrol-6-yl)hexanamide
| Molecular Formula | C11H14N2O2S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.04968 |
| Heavy Atoms | 17 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 92680-94-9 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C2C(=CSS2)NC1=O |
| InChIKey | YBDAGRFUBLIKGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 (CAS 92680-94-9), with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol. IUPAC: N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)hexanamide.
Chemical Property Profile of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺
Property Insights of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺. Following Lipinski's Rule of Five, N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺?
The CAS number of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 is 92680-94-9.
What is the molecular formula of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺?
The molecular formula of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 is C11H14N2O2S2.
What is the molecular weight of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺?
The molecular weight of N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 is 270.05 g/mol.
Where can I buy N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺?
You can request a quote for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(5-氧代-4H-二硫醇并(3,4-d)吡咯-6-基)己酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.